Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 16/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13334899 | 1.00 | MAOA (0.55) | MAOAKCNH2CYP3A4MAOBCYP2D6 | |
| Hydrochloric Acid SCHEMBL3371870 | 0.99 | MAOA (0.54) | MAOAKCNH2CYP3A4MAOBCYP2D6 | |
| SCHEMBL13334916 | 0.93 | MAOA (0.54) | MAOAKCNH2CYP3A4MAOBCYP2D6 | |
| SCHEMBL13335196 | 0.93 | MAOA (0.62) | MAOAKCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3368921 | 0.93 | MAOA (0.62) | MAOAKCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3368091 | 0.92 | MAOA (0.54) | MAOAKCNH2CYP3A4MAOBCYP2D6 | |
| Hydrochloric Acid SCHEMBL3366681 | 0.92 | MAOA (0.61) | MAOAKCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5789875 | 0.85 | KCNH2 (0.50) | MAOAKCNH2CYP3A4MAOBCYP2D6 | |
| SCHEMBL13335061 | 0.85 | MAOA (0.62) | MAOAKCNH2CYP3A4MAOBCYP2D6 | |
| SCHEMBL13335259 | 0.85 | MAOA (0.64) | MAOAKCNH2CYP3A4CYP2D6CYP2C9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1646629-B1 | CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF | MERCK SHARP & DOHME (US) | 2010-06-23 | — | — | EP | claimed |